Model options: Enum classes

class mlip.models.options.Activation(value, names=<not given>, *values, module=None, qualname=None, type=None, start=1, boundary=None)

Supported activation functions:

Options are: TANH = "tanh", SILU = "silu", RELU = "relu", ELU = "elu", SWISH = "swish", SIGMOID = "sigmoid", and NONE = "none".

class mlip.models.options.RadialBasis(value, names=<not given>, *values, module=None, qualname=None, type=None, start=1, boundary=None)

Radial basis option(s). For the moment, only BESSEL = "bessel" exists.

class mlip.models.options.RadialEnvelope(value, names=<not given>, *values, module=None, qualname=None, type=None, start=1, boundary=None)

Radial envelope options. For the moment, POLYNOMIAL = "polynomial_envelope" and SOFT = "soft_envelope" exist.

class mlip.models.options.VecNormType(value, names=<not given>, *values, module=None, qualname=None, type=None, start=1, boundary=None)

Options for the VecLayerNorm of the ViSNet model.

mlip.models.options.parse_activation(act: Activation | str) → Callable[[Array], Array]

Parse activation function among available options.

See Activation.

mlip.models.options.parse_radial_basis(basis: RadialBasis | str) → Callable

Parse RadialBasis parameter among available options.

See RadialBasis.

mlip.models.options.parse_radial_envelope(envelope: RadialEnvelope | str) → Callable

Parse RadialEnvelope parameter among available options.

See RadialEnvelope.